SCHEMBL4685133

SCHEMBL4685133

CCN(CC)C(=O)c1ccc(C(c2cccc3cccnc23)N2CCN(Cc3ccoc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 18/20 0.68
OPRM1 P35372 8/20 0.68
OPRK1 P41145 4/20 0.68
KCNH2 Q12809 4/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4681851 0.89 OPRD1 (0.73) OPRD1OPRM1OPRK1KCNH2
Hydrochloric Acid SCHEMBL6772092 0.88 OPRD1 (0.72) OPRD1OPRM1OPRK1KCNH2
SCHEMBL6769093 0.88 OPRD1 (0.71) OPRD1OPRM1OPRK1KCNH2
SCHEMBL6773667 0.86 OPRD1 (0.69) OPRD1OPRM1OPRK1KCNH2
SCHEMBL7083492 0.85 OPRD1 (0.68) OPRD1OPRM1OPRK1KCNH2
SCHEMBL4680591 0.85 OPRD1 (0.68) OPRD1OPRM1OPRK1KCNH2
SCHEMBL7083219 0.85 OPRD1 (0.72) OPRD1OPRM1OPRK1KCNH2
Hydrochloric Acid SCHEMBL6772408 0.85 OPRD1 (0.67) OPRD1OPRM1OPRK1KCNH2
Hydrochloric Acid SCHEMBL6769933 0.85 OPRD1 (0.67) OPRD1OPRM1OPRK1KCNH2
SCHEMBL7086156 0.85 OPRD1 (0.69) OPRD1OPRM1OPRK1KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1225465-C Novel compounds ASTRAZENECA AB (SE) 2005-11-02 CN claimed
US-6784181-B2 LIGANDS FOR THE DELTA RECEPTOR ASTRAZENECA AB (SE) 2004-08-31 US claimed
EP-1242402-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-11-12 EP claimed
CN-1434816-A Novel compounds ASTRAZENECA AB (SE) 2003-08-06 CN claimed
US-20030119845-A1 Novel compounds ASTRAZENECA AB (SE) 2003-06-26 US claimed
US-7423154-B2 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates ASTRAZENECA AB (SE) 2008-09-09 US disclosed
US-7423154-B2 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates ASTRAZENECA AB (SE) 2008-09-09 US disclosed
US-7423154-B2 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates ASTRAZENECA AB (SE) 2008-09-09 US disclosed
EP-1368325-B1 NEW ASYMMETRIC PROCESS FOR THE PREPARATION OF DIARYLMETHYLPIPERAZINES DERIVATIVES AND NOVEL ASYMMETRIC DIARYLMETYLAMINES AS INTERMEDIATES ASTRAZENECA AB (SE) 2008-08-27 EP disclosed
US-7045625-B2 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates ASTRAZENECA AB (SE) 2006-05-16 US disclosed
US-20060074238-A1 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates ASTRAZENECA AB (SE) 2006-04-06 US disclosed
US-6784181-B2 LIGANDS FOR THE DELTA RECEPTOR ASTRAZENECA AB (SE) 2004-08-31 US disclosed
US-20040077861-A1 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates ASTRAZENECA AB (SE) 2004-04-22 US disclosed
US-20030119845-A1 Novel compounds ASTRAZENECA AB (SE) 2003-06-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060074238-A1 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates SRM, SULT2A1, PNMT OPRD1 1296/4885OPRM1 224/4885OPRK1 1367/4885
US-20040077861-A1 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates SRM, SULT2A1, PNMT OPRD1 1296/4885OPRM1 224/4885OPRK1 1367/4885
US-20030119845-A1 Novel compounds OPRK1, OPRM1, OPRL1 OPRD1 4/4885OPRM1 2/4885OPRK1 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.